methyl 2-[(4-methylphenyl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-methylphenyl)methylamino]-5-nitro-benzoate Openeye Name: methyl 5-nitro-2-(p-tolylmethylamino)benzoate CAS Name: 2-[(4-methylphenyl)methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(4-methylbenzyl)amino]-5-nitro-benzoic acid methyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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