6-[(E)-2-(4-heptoxyphenyl)ethenyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione

Systemtic Name: 6-[(E)-2-(4-heptoxyphenyl)ethenyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(4-heptoxyphenyl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione CAS Name: 6-[(E)-2-(4-heptoxyphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione IUPAC Name: 6-[(E)-2-(4-heptoxyphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(4-heptoxyphenyl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=CC2=C(C(=O)N(C(=O)N2C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=C/C2=C(C(=O)N(C(=O)N2C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5/c1-4-5-6-7-8-15-29-17-12-9-16(10-13-17)11-14-18-19(24(27)28)20(25)23(3)21(26)22(18)2/h9-14H,4-8,15H2,1-3H3/b14-11+