2-[(4-ethylphenyl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(4-ethylphenyl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(4-ethylphenyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[(4-ethylanilino)-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(4-ethylphenyl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(4-ethylphenyl)carbamoyl]-6-nitro-benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O5/c1-2-10-6-8-11(9-7-10)17-15(19)12-4-3-5-13(18(22)23)14(12)16(20)21/h3-9H,2H2,1H3,(H,17,19)(H,20,21)