2-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[(3-chloro-2-methylanilino)-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(3-chloro-2-methylphenyl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-nitro-benzoic acid Formula: C15H11ClN2O5 MolecularWeight: 334.71124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11ClN2O5/c1-8-12(16)3-2-4-13(8)17-14(19)11-7-9(18(22)23)5-6-10(11)15(20)21/h2-7H,1H3,(H,17,19)(H,20,21)