1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine

HCID 10336422

Basic information

Standard SMILES
CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1)OCO3
InChIKey
DJXIVFHYOLZSBW-UHFFFAOYSA-N
Molecular formula
C17H15N3O4
Average molar mass
325.32 g/mol

Names & identifiers

Preferred name
1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine
IUPAC
8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine

Names & synonyms

SCHEMBL5416313DJXIVFHYOLZSBW-UHFFFAOYSA-N1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine(+/-)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine(-)-1-(4-Nitrophenyl)-4-methyl-7,8-methylenedioxy-3,4-dihydro-5H-2,3-benzodiazepine5-(4-nitrophenyl)-8-methyl-9H-7H-1,3-dioxolo[4,5-h][2,3]-benzodiazepine

Database identifiers

PubChem CID
10336422
Nikkaji
J660.385H

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
88.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
24

Related reactions

34 records

Linked notes

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