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

Systemtic Name: ethyl 3-[1-cyclohexyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-(1-cyclohexyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate CAS Name: 3-(1-cyclohexyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-cyclohexyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: 3-(1-cyclohexyl-2,5-diketo-7-nitro-3H-1,4-benzodiazepin-4-yl)propionic acid ethyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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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-])C3CCCCC3

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H25N3O6/c1-2-29-19(25)10-11-21-13-18(24)22(14-6-4-3-5-7-14)17-9-8-15(23(27)28)12-16(17)20(21)26/h8-9,12,14H,2-7,10-11,13H2,1H3