methyl 3-[(4-methylphenyl)-(phenylmethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-methylphenyl)-(phenylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[benzyl(p-tolyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-methyl-N-(phenylmethyl)anilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[benzyl-(4-methylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[benzyl(p-tolyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H20N2O5/c1-16-8-10-20(11-9-16)24(15-17-6-4-3-5-7-17)22(26)18-12-19(23(27)30-2)14-21(13-18)25(28)29/h3-14H,15H2,1-2H3