3-[(2-azanyl-4-nitro-phenyl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-azanyl-4-nitro-phenyl)amino]-4-methyl-benzoic acid Openeye Name: 3-(2-amino-4-nitro-anilino)-4-methyl-benzoic acid CAS Name: 3-(2-amino-4-nitroanilino)-4-methylbenzoic acid IUPAC Name: 3-(2-amino-4-nitroanilino)-4-methylbenzoic acid Traditional Name: 3-(2-amino-4-nitro-anilino)-4-methyl-benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H13N3O4/c1-8-2-3-9(14(18)19)6-13(8)16-12-5-4-10(17(20)21)7-11(12)15/h2-7,16H,15H2,1H3,(H,18,19)