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

Systemtic Name: ethyl 2-[1-(4-nitro-3-phenylmethoxy-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(3-benzyloxy-4-nitro-benzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(4-nitro-3-phenylmethoxyphenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-nitro-3-phenylmethoxybenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(3-benzoxy-4-nitro-benzoyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C27H25N3O7 MolecularWeight: 503.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O7/c1-2-36-26(32)17-29-22-11-7-6-10-21(22)28(15-14-25(29)31)27(33)20-12-13-23(30(34)35)24(16-20)37-18-19-8-4-3-5-9-19/h3-13,16H,2,14-15,17-18H2,1H3