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

Systemtic Name: ethyl 3-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[cyclopropyl(p-tolyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[cyclopropyl-(4-methylphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[cyclopropyl(p-tolyl)methyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2CC2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2CC2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-3-28-21(25)17-10-16(11-18(12-17)23(26)27)20(24)22-19(15-8-9-15)14-6-4-13(2)5-7-14/h4-7,10-12,15,19H,3,8-9H2,1-2H3,(H,22,24)