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

Systemtic Name: ethyl 3-[1-methyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(2,5-diketo-1-methyl-7-nitro-3H-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-3-24-14(20)6-7-17-9-13(19)16(2)12-5-4-10(18(22)23)8-11(12)15(17)21/h4-5,8H,3,6-7,9H2,1-2H3