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

Systemtic Name: methyl 4-[(3-methylphenyl)methylamino]-3-nitro-benzoate Openeye Name: methyl 4-(m-tolylmethylamino)-3-nitro-benzoate CAS Name: 4-[(3-methylphenyl)methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3-methylphenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(3-methylbenzyl)amino]-3-nitro-benzoic acid methyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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