methyl 3-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(3-ethoxypropylamino)-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOCCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23N3O7/c1-3-31-10-6-9-22-20(26)17-7-4-5-8-18(17)23-19(25)14-11-15(21(27)30-2)13-16(12-14)24(28)29/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,22,26)(H,23,25)