4-chloranyl-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[(4-ethoxy-3-nitro-benzoyl)amino]benzoic acid CAS Name: 4-chloro-3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(4-ethoxy-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 4-chloro-3-[(4-ethoxy-3-nitro-benzoyl)amino]benzoic acid Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O6/c1-2-25-14-6-4-9(8-13(14)19(23)24)15(20)18-12-7-10(16(21)22)3-5-11(12)17/h3-8H,2H2,1H3,(H,18,20)(H,21,22)