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

Systemtic Name: methyl 3-[(3,4-dipropoxyphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3,4-dipropoxyphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(3,4-dipropoxyanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dipropoxyphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3,4-dipropoxyphenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OCCC

InChI

InChI=1S/C21H24N2O7/c1-4-8-29-18-7-6-16(13-19(18)30-9-5-2)22-20(24)14-10-15(21(25)28-3)12-17(11-14)23(26)27/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)