[2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] naphthalene-1-sulfonate

Systemtic Name: [2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] naphthalene-1-sulfonate Openeye Name: [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-methoxy-phenyl] ester Formula: C23H17N3O8S MolecularWeight: 495.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H17N3O8S/c1-33-19-13-14(9-11-17-21(26(29)30)22(27)25-23(28)24-17)10-12-18(19)34-35(31,32)20-8-4-6-15-5-2-3-7-16(15)20/h2-13H,1H3,(H2,24,25,27,28)