2-[(2-carboxyphenyl)-(2-cyanoethyl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)-(2-cyanoethyl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(2-carboxyphenyl)-(2-cyanoethyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[2-carboxy-N-(2-cyanoethyl)anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(2-carboxyphenyl)-(2-cyanoethyl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(2-carboxyphenyl)-(2-cyanoethyl)carbamoyl]-6-nitro-benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7/c19-9-4-10-20(13-7-2-1-5-11(13)17(23)24)16(22)12-6-3-8-14(21(27)28)15(12)18(25)26/h1-3,5-8H,4,10H2,(H,23,24)(H,25,26)