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

Systemtic Name: methyl 3-[(4-butoxycarbonylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-butoxycarbonylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[butoxy(oxo)methyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-butoxycarbonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-butoxycarbonylphenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H20N2O7/c1-3-4-9-29-20(25)13-5-7-16(8-6-13)21-18(23)14-10-15(19(24)28-2)12-17(11-14)22(26)27/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23)