[2-[(E)-ethylideneamino]-5-nitro-6-oxidanylidene-4-[(E)-prop-1-enyl]pyrimidin-1-yl]methyl ethanoate

Systemtic Name: [2-[(E)-ethylideneamino]-5-nitro-6-oxidanylidene-4-[(E)-prop-1-enyl]pyrimidin-1-yl]methyl ethanoate Openeye Name: [2-[(E)-ethylideneamino]-5-nitro-6-oxo-4-[(E)-prop-1-enyl]pyrimidin-1-yl]methyl acetate CAS Name: acetic acid [2-[(E)-ethylideneamino]-5-nitro-6-oxo-4-[(E)-prop-1-enyl]-1-pyrimidinyl]methyl ester IUPAC Name: [2-[(E)-ethylideneamino]-5-nitro-6-oxo-4-[(E)-prop-1-enyl]pyrimidin-1-yl]methyl acetate Traditional Name: acetic acid [2-[(E)-ethylideneamino]-6-keto-5-nitro-4-[(E)-prop-1-enyl]pyrimidin-1-yl]methyl ester Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C(=O)N(C(=N1)N=CC)COC(=O)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C1=C(C(=O)N(C(=N1)/N=C/C)COC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-4-6-9-10(16(19)20)11(18)15(7-21-8(3)17)12(14-9)13-5-2/h4-6H,7H2,1-3H3/b6-4+,13-5+