4-[(4-cyanophenyl)carbonyl-methyl-amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-cyanophenyl)carbonyl-methyl-amino]-3-nitro-benzoic acid Openeye Name: 4-[(4-cyanobenzoyl)-methyl-amino]-3-nitro-benzoic acid CAS Name: 4-[[(4-cyanophenyl)-oxomethyl]-methylamino]-3-nitrobenzoic acid IUPAC Name: 4-[(4-cyanobenzoyl)-methylamino]-3-nitrobenzoic acid Traditional Name: 4-[(4-cyanobenzoyl)-methyl-amino]-3-nitro-benzoic acid Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H11N3O5/c1-18(15(20)11-4-2-10(9-17)3-5-11)13-7-6-12(16(21)22)8-14(13)19(23)24/h2-8H,1H3,(H,21,22)