methyl 3-[(2,4-dinitrophenyl)amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(2,4-dinitrophenyl)amino]-4-methyl-benzoate Openeye Name: methyl 3-(2,4-dinitroanilino)-4-methyl-benzoate CAS Name: 3-(2,4-dinitroanilino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(2,4-dinitroanilino)-4-methylbenzoate Traditional Name: 3-(2,4-dinitroanilino)-4-methyl-benzoic acid methyl ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-9-3-4-10(15(19)24-2)7-13(9)16-12-6-5-11(17(20)21)8-14(12)18(22)23/h3-8,16H,1-2H3