methyl 1-(chloromethyl)-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate

HCID 394852
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cc2c3c(cc([N+](=O)[O-])c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)CC3CCl
InChIKey
DQUZJKNVYSYKDE-UHFFFAOYSA-N
Molecular formula
C25H23ClN4O8
Average molar mass
542.9 g/mol

Names & identifiers

Preferred name
methyl 1-(chloromethyl)-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate
IUPAC
methyl 8-(chloromethyl)-4-nitro-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

Names & synonyms

NSC698928SCHEMBL5623265DQUZJKNVYSYKDE-UHFFFAOYSA-NNSC-698928methyl 1-(chloromethyl)-5-nitro-3-[(5,6,7-trimethoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate

Database identifiers

PubChem CID
394852
Nikkaji
J1.198.755I

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
152 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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