(Z)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-propan-2-yl-prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-N-propan-2-yl-prop-2-enamide Openeye Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N-isopropyl-prop-2-enamide CAS Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-propan-2-yl-2-propenamide IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-propan-2-ylprop-2-enamide Traditional Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N-isopropyl-acrylamide Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C\C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C13H13N3O5/c1-7(2)15-13(19)9(6-14)3-8-4-10(16(20)21)12(18)11(17)5-8/h3-5,7,17-18H,1-2H3,(H,15,19)/b9-3-