2-piperidin-1-ylethyl (Z)-3-(3-nitro-4-phenyl-phenyl)-4-oxidanylidene-pent-2-enoate

Systemtic Name: 2-piperidin-1-ylethyl (Z)-3-(3-nitro-4-phenyl-phenyl)-4-oxidanylidene-pent-2-enoate Openeye Name: 2-(1-piperidyl)ethyl (Z)-3-(3-nitro-4-phenyl-phenyl)-4-oxo-pent-2-enoate CAS Name: (Z)-3-(3-nitro-4-phenylphenyl)-4-oxo-2-pentenoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl (Z)-3-(3-nitro-4-phenylphenyl)-4-oxopent-2-enoate Traditional Name: (Z)-4-keto-3-(3-nitro-4-phenyl-phenyl)pent-2-enoic acid 2-piperidinoethyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC(=O)OCCN1CCCCC1)C2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C(=O)OCCN1CCCCC1)/C2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O5/c1-18(27)22(17-24(28)31-15-14-25-12-6-3-7-13-25)20-10-11-21(23(16-20)26(29)30)19-8-4-2-5-9-19/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3/b22-17+