methyl 4-[(E)-2-[5-nitro-2,6-bis(phenylazanyl)pyrimidin-4-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-[5-nitro-2,6-bis(phenylazanyl)pyrimidin-4-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(2,6-dianilino-5-nitro-pyrimidin-4-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(2,6-dianilino-5-nitro-4-pyrimidinyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(2,6-dianilino-5-nitropyrimidin-4-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(2,6-dianilino-5-nitro-pyrimidin-4-yl)vinyl]benzoic acid methyl ester Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=C(C(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=C(C(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O4/c1-35-25(32)19-15-12-18(13-16-19)14-17-22-23(31(33)34)24(27-20-8-4-2-5-9-20)30-26(29-22)28-21-10-6-3-7-11-21/h2-17H,1H3,(H2,27,28,29,30)/b17-14+