4-(dipentylcarbamoyl)-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-(dipentylcarbamoyl)-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(dipentylcarbamoyl)-5-(3-nitroanilino)-5-oxo-pentanoic acid CAS Name: 4-[(dipentylamino)-oxomethyl]-5-(3-nitroanilino)-5-oxopentanoic acid IUPAC Name: 4-(dipentylcarbamoyl)-5-(3-nitroanilino)-5-oxopentanoic acid Traditional Name: 4-(diamylcarbamoyl)-5-keto-5-(3-nitroanilino)valeric acid Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H33N3O6/c1-3-5-7-14-24(15-8-6-4-2)22(29)19(12-13-20(26)27)21(28)23-17-10-9-11-18(16-17)25(30)31/h9-11,16,19H,3-8,12-15H2,1-2H3,(H,23,28)(H,26,27)