methyl 4-[(4S)-4-methyl-7-nitro-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4S)-4-methyl-7-nitro-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4S)-4-methyl-7-nitro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-4-oxo-butanoate CAS Name: 4-[(4S)-4-methyl-7-nitro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4S)-4-methyl-7-nitro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(4S)-2-keto-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]butyric acid methyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(N1C(=O)CCC(=O)OC)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC2=C(N1C(=O)CCC(=O)OC)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c1-9-7-13(19)16-11-4-3-10(18(22)23)8-12(11)17(9)14(20)5-6-15(21)24-2/h3-4,8-9H,5-7H2,1-2H3,(H,16,19)/t9-/m0/s1