(4-methylphenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-methylphenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: p-tolylmethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-methylbenzyl) ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)10-22-16(19)13-7-8-14(17-2)15(9-13)18(20)21/h3-9,17H,10H2,1-2H3