4-[[5-(2-chlorophenyl)-7-nitro-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(2-chlorophenyl)-7-nitro-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(2-chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[5-(2-chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[5-(2-chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[5-(2-chlorophenyl)-2-keto-7-nitro-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-keto-butyric acid Formula: C19H14ClN3O7 MolecularWeight: 431.78336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])OC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])OC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C19H14ClN3O7/c20-13-4-2-1-3-11(13)17-12-9-10(23(28)29)5-6-14(12)21-18(27)19(22-17)30-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,21,27)(H,24,25)