ethyl 3-(4-methylpentylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(4-methylpentylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(isohexylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(4-methylpentylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-methylpentylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(isohexylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-4-23-16(20)13-8-12(9-14(10-13)18(21)22)15(19)17-7-5-6-11(2)3/h8-11H,4-7H2,1-3H3,(H,17,19)