(3,4-dimethylphenyl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (3,4-dimethylphenyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3,4-dimethylphenyl) ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-10-4-6-13(8-11(10)2)22-16(19)12-5-7-14(17-3)15(9-12)18(20)21/h4-9,17H,1-3H3