2-[5-(2-chlorophenyl)-7-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-chlorophenyl)-7-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-chlorophenyl)-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-chlorophenyl)-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-chlorophenyl)-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-chlorophenyl)-2-keto-7-nitro-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)CC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)CC(=O)O

InChI

InChI=1S/C17H12ClN3O5/c18-13-4-2-1-3-11(13)17-12-7-10(21(25)26)5-6-14(12)20(9-16(23)24)15(22)8-19-17/h1-7H,8-9H2,(H,23,24)