methyl 3-[(4-butan-2-ylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-butan-2-ylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[(4-sec-butylphenyl)carbamoyl]benzoate CAS Name: 3-[(4-butan-2-ylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-butan-2-ylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(4-sec-butylphenyl)carbamoyl]benzoic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-4-12(2)13-5-7-16(8-6-13)20-18(22)14-9-15(19(23)26-3)11-17(10-14)21(24)25/h5-12H,4H2,1-3H3,(H,20,22)