ethyl 2-[5-(4-nitrophenyl)carbonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-nitrophenyl)carbonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-(4-nitrobenzoyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetate CAS Name: 2-[5-[(4-nitrophenyl)-oxomethyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-nitrobenzoyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(4-nitrobenzoyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1CCCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-2-28-19(24)14-21-12-5-13-22(18-7-4-3-6-17(18)21)20(25)15-8-10-16(11-9-15)23(26)27/h3-4,6-11H,2,5,12-14H2,1H3