3-[(2-cyano-4-nitro-phenyl)amino]-4-methyl-benzoate

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)amino]-4-methyl-benzoate Openeye Name: 3-(2-cyano-4-nitro-anilino)-4-methyl-benzoate CAS Name: 3-(2-cyano-4-nitroanilino)-4-methylbenzoate IUPAC Name: 3-(2-cyano-4-nitroanilino)-4-methylbenzoate Traditional Name: 3-(2-cyano-4-nitro-anilino)-4-methyl-benzoate Formula: C15H10N3O4- MolecularWeight: 296.2576

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4/c1-9-2-3-10(15(19)20)7-14(9)17-13-5-4-12(18(21)22)6-11(13)8-16/h2-7,17H,1H3,(H,19,20)/p-1