4-[methyl-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]amino]-3-nitro-benzoic acid CAS Name: 4-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]-methyl-amino]-3-nitro-benzoic acid Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-12-9-18(25)21-14-5-3-4-6-15(14)23(12)19(26)11-22(2)16-8-7-13(20(27)28)10-17(16)24(29)30/h3-8,10,12H,9,11H2,1-2H3,(H,21,25)(H,27,28)