phenyl (E)-2-(1,3-diazinan-2-ylidene)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: phenyl (E)-2-(1,3-diazinan-2-ylidene)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: phenyl (E)-2-hexahydropyrimidin-2-ylidene-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-2-(1,3-diazinan-2-ylidene)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid phenyl ester IUPAC Name: phenyl (E)-2-(1,3-diazinan-2-ylidene)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-2-hexahydropyrimidin-2-ylidene-3-keto-5-(3-nitrophenyl)pent-4-enoic acid phenyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C(C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3)NC1

Isomeric SMILES

C1CNC(=C(C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3)NC1

InChI

InChI=1S/C21H19N3O5/c25-18(11-10-15-6-4-7-16(14-15)24(27)28)19(20-22-12-5-13-23-20)21(26)29-17-8-2-1-3-9-17/h1-4,6-11,14,22-23H,5,12-13H2/b11-10+