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

Systemtic Name: methyl 3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclopropyl(p-anisyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H20N2O6/c1-27-18-7-3-13(4-8-18)12-21(16-5-6-16)19(23)14-9-15(20(24)28-2)11-17(10-14)22(25)26/h3-4,7-11,16H,5-6,12H2,1-2H3