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

Systemtic Name: methyl 4-[[(4-methylphenyl)methylamino]methyl]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[(p-tolylmethylamino)methyl]benzoate CAS Name: 4-[[(4-methylphenyl)methylamino]methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methylphenyl)methylamino]methyl]-3-nitrobenzoate Traditional Name: 4-[[(4-methylbenzyl)amino]methyl]-3-nitro-benzoic acid methyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c1-12-3-5-13(6-4-12)10-18-11-15-8-7-14(17(20)23-2)9-16(15)19(21)22/h3-9,18H,10-11H2,1-2H3