methyl 4-[(E)-2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)vinyl]benzoic acid methyl ester Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5/c1-23-13(20)9-5-2-8(3-6-9)4-7-10-11(18(21)22)12(19)17-14(15)16-10/h2-7H,1H3,(H3,15,16,17,19)/b7-4+