(E)-N-[6-azanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-1H-pyrimidin-5-yl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-1H-pyrimidin-5-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-amino-2,4-diketo-3-propargyl-1H-pyrimidin-5-yl)-3-(3-nitrophenyl)acrylamide Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=C(NC1=O)N)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C(=O)C(=C(NC1=O)N)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5/c1-2-8-20-15(23)13(14(17)19-16(20)24)18-12(22)7-6-10-4-3-5-11(9-10)21(25)26/h1,3-7,9H,8,17H2,(H,18,22)(H,19,24)/b7-6+