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-tolylmethyl)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-(4-methylbenzyl)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)N(CC2=CC=C(C=C2)C)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C)C3CC3)[N+](=O)[O-]

InChI

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