2-[(2-azanyl-4-nitro-phenyl)amino]-6-methyl-benzoic acid

Systemtic Name: 2-[(2-azanyl-4-nitro-phenyl)amino]-6-methyl-benzoic acid Openeye Name: 2-(2-amino-4-nitro-anilino)-6-methyl-benzoic acid CAS Name: 2-(2-amino-4-nitroanilino)-6-methylbenzoic acid IUPAC Name: 2-(2-amino-4-nitroanilino)-6-methylbenzoic acid Traditional Name: 2-(2-amino-4-nitro-anilino)-6-methyl-benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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