ethyl 3-[7-nitro-2,5-bis(oxidanylidene)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[7-nitro-2,5-bis(oxidanylidene)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(7-nitro-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(7-nitro-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-nitro-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(2,5-diketo-7-nitro-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(C(=O)NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C(C(=O)NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-2-29-17(24)10-11-22-18(13-6-4-3-5-7-13)19(25)21-16-9-8-14(23(27)28)12-15(16)20(22)26/h3-9,12,18H,2,10-11H2,1H3,(H,21,25)