3-phenylpropyl 5-[(2-methoxy-5-nitro-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-methoxy-5-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(2-methoxy-5-nitro-anilino)-5-oxo-pentanoate CAS Name: 5-(2-methoxy-5-nitroanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(2-methoxy-5-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(2-methoxy-5-nitro-anilino)valeric acid 3-phenylpropyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-28-19-13-12-17(23(26)27)15-18(19)22-20(24)10-5-11-21(25)29-14-6-9-16-7-3-2-4-8-16/h2-4,7-8,12-13,15H,5-6,9-11,14H2,1H3,(H,22,24)