ethyl 3-[methyl-[(4-prop-2-enoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[methyl-[(4-prop-2-enoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-allyloxyphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[(4-prop-2-enoxyphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-allyloxybenzyl)-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-4-10-29-19-8-6-15(7-9-19)14-22(3)20(24)16-11-17(21(25)28-5-2)13-18(12-16)23(26)27/h4,6-9,11-13H,1,5,10,14H2,2-3H3