methyl (E)-3-(4-ethenyl-5-nitro-6-phenylazanyl-3-pyridin-3-yl-pyridin-2-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(4-ethenyl-5-nitro-6-phenylazanyl-3-pyridin-3-yl-pyridin-2-yl)prop-2-enoate Openeye Name: methyl (E)-3-[6-anilino-5-nitro-3-(3-pyridyl)-4-vinyl-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-anilino-4-ethenyl-5-nitro-3-(3-pyridinyl)-2-pyridinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(6-anilino-4-ethenyl-5-nitro-3-pyridin-3-ylpyridin-2-yl)prop-2-enoate Traditional Name: (E)-3-[6-anilino-5-nitro-3-(3-pyridyl)-4-vinyl-2-pyridyl]acrylic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=NC(=C(C(=C1C2=CN=CC=C2)C=C)[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/C1=NC(=C(C(=C1C2=CN=CC=C2)C=C)[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C22H18N4O4/c1-3-17-20(15-8-7-13-23-14-15)18(11-12-19(27)30-2)25-22(21(17)26(28)29)24-16-9-5-4-6-10-16/h3-14H,1H2,2H3,(H,24,25)/b12-11+