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

Systemtic Name: ethyl 2-[5-(2-chloranyl-4-nitro-phenyl)carbonyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-(2-chloro-4-nitro-benzoyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetate CAS Name: 2-[5-[(2-chloro-4-nitrophenyl)-oxomethyl]-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-chloro-4-nitrobenzoyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(2-chloro-4-nitro-benzoyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-2-29-19(25)13-22-10-5-11-23(18-7-4-3-6-17(18)22)20(26)15-9-8-14(24(27)28)12-16(15)21/h3-4,6-9,12H,2,5,10-11,13H2,1H3