(+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbonitrile

HCID 12137416
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Basic information

Standard SMILES
CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C#N)OCO3
InChIKey
GIVKPTXLEWJGPU-UHFFFAOYSA-N
Molecular formula
C18H14N4O4
Average molar mass
350.3 g/mol

Names & identifiers

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

Names & synonyms

GIVKPTXLEWJGPU-UHFFFAOYSA-N(+/-)-8-Methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carbonitrile

Database identifiers

PubChem CID
12137416
Nikkaji
J2.457.677I

Properties

Computed structural properties

XLogP
4
Topological polar surface area
104 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
26

Related reactions

5 records
New reaction record

Linked notes

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