2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(2-ethyl-6-methylanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2-ethyl-6-methylphenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C17H16N2O5/c1-3-11-7-4-6-10(2)15(11)18-16(20)14-12(17(21)22)8-5-9-13(14)19(23)24/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22)