5-(4-methoxyphenyl)-7-nitro-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one

Systemtic Name: 5-(4-methoxyphenyl)-7-nitro-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 5-(4-methoxyphenyl)-7-nitro-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 5-(4-methoxyphenyl)-7-nitro-2-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 5-(4-methoxyphenyl)-7-nitrospiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 5-(4-methoxyphenyl)-7-nitro-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3(CCNCC3)C(=O)NC4=C2C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3(CCNCC3)C(=O)NC4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-28-15-5-2-13(3-6-15)18-16-12-14(24(26)27)4-7-17(16)22-19(25)20(23-18)8-10-21-11-9-20/h2-7,12,21H,8-11H2,1H3,(H,22,25)