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

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(2-bromo-4-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(2-bromo-4-methylanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2-bromo-4-methylphenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(2-bromo-4-methyl-phenyl)carbamoyl]-3-nitro-benzoic acid Formula: C15H11BrN2O5 MolecularWeight: 379.16224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)Br

InChI

InChI=1S/C15H11BrN2O5/c1-8-5-6-11(10(16)7-8)17-14(19)13-9(15(20)21)3-2-4-12(13)18(22)23/h2-7H,1H3,(H,17,19)(H,20,21)