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

Systemtic Name: ethyl 3-[7-nitro-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(1-isopropyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(7-nitro-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-nitro-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(1-isopropyl-2,5-diketo-7-nitro-3H-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H21N3O6/c1-4-26-16(22)7-8-18-10-15(21)19(11(2)3)14-6-5-12(20(24)25)9-13(14)17(18)23/h5-6,9,11H,4,7-8,10H2,1-3H3