3-azanyl-4-(4-methylphenyl)carbonyl-5-nitro-benzoic acid

Systemtic Name: 3-azanyl-4-(4-methylphenyl)carbonyl-5-nitro-benzoic acid Openeye Name: 3-amino-4-(4-methylbenzoyl)-5-nitro-benzoic acid CAS Name: 3-amino-4-[(4-methylphenyl)-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-amino-4-(4-methylbenzoyl)-5-nitrobenzoic acid Traditional Name: 3-amino-5-nitro-4-p-toluoyl-benzoic acid Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5/c1-8-2-4-9(5-3-8)14(18)13-11(16)6-10(15(19)20)7-12(13)17(21)22/h2-7H,16H2,1H3,(H,19,20)