[2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-methylbenzoate

Systemtic Name: [2-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] 3-methylbenzoate Openeye Name: [2-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-2-methoxy-phenyl] ester Formula: C21H17N3O7 MolecularWeight: 423.37558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N3O7/c1-12-4-3-5-14(10-12)20(26)31-16-9-7-13(11-17(16)30-2)6-8-15-18(24(28)29)19(25)23-21(27)22-15/h3-11H,1-2H3,(H2,22,23,25,27)