methyl 2-[1-(2-methylphenyl)ethylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[1-(2-methylphenyl)ethylamino]-5-nitro-benzoate Openeye Name: methyl 5-nitro-2-[1-(o-tolyl)ethylamino]benzoate CAS Name: 2-[1-(2-methylphenyl)ethylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[1-(2-methylphenyl)ethylamino]-5-nitrobenzoate Traditional Name: 5-nitro-2-[1-(o-tolyl)ethylamino]benzoic acid methyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O4/c1-11-6-4-5-7-14(11)12(2)18-16-9-8-13(19(21)22)10-15(16)17(20)23-3/h4-10,12,18H,1-3H3