methyl 3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-(veratrylcarbamoyl)benzoic acid methyl ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C18H18N2O7/c1-25-15-5-4-11(6-16(15)26-2)10-19-17(21)12-7-13(18(22)27-3)9-14(8-12)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)