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

Systemtic Name: methyl 3-[(4-butylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-butylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-butylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-butylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-butylphenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H20N2O5/c1-3-4-5-13-6-8-16(9-7-13)20-18(22)14-10-15(19(23)26-2)12-17(11-14)21(24)25/h6-12H,3-5H2,1-2H3,(H,20,22)