methyl 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclopropyl-(2,5-dimethoxybenzyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-28-18-6-7-19(29-2)15(11-18)12-22(16-4-5-16)20(24)13-8-14(21(25)30-3)10-17(9-13)23(26)27/h6-11,16H,4-5,12H2,1-3H3