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N-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-nitroaniline

HCID 87138751
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Basic information

Standard SMILES
COc1cc2c(cc1OC)/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2
InChIKey
AKXDUXMMAPRWAY-CAPFRKAQSA-N
Molecular formula
C18H19N3O4
Average molar mass
341.4 g/mol

Names & identifiers

Preferred name
N-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-nitroaniline
IUPAC
N-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-nitroaniline

Names & synonyms

SCHEMBL662310

Database identifiers

PubChem CID
87138751

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
88.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
485

Related reactions

1 records
New reaction record
HRID 41950 reaction equation
HRID 41950As reactantuspto-grants-2013_09

Compound notes

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