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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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