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

Systemtic Name: methyl 3-[(4-methylphenyl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-(p-tolylmethylcarbamoyl)benzoate CAS Name: 3-[[(4-methylphenyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methylbenzyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-11-3-5-12(6-4-11)10-18-16(20)13-7-14(17(21)24-2)9-15(8-13)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)