(E)-3-(dimethylamino)-2-(3-methyl-2-nitro-phenyl)carbonyl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-(dimethylamino)-2-(3-methyl-2-nitro-phenyl)carbonyl-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-(dimethylamino)-3-hydroxy-2-(3-methyl-2-nitro-benzoyl)prop-2-enenitrile CAS Name: (E)-3-(dimethylamino)-3-hydroxy-2-[(3-methyl-2-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(dimethylamino)-3-hydroxy-2-(3-methyl-2-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(dimethylamino)-3-hydroxy-2-(3-methyl-2-nitro-benzoyl)acrylonitrile Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-8-5-4-6-9(11(8)16(19)20)12(17)10(7-14)13(18)15(2)3/h4-6,18H,1-3H3/b13-10+