butyl (E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]acrylic acid butyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-4-5-8-23-16(20)13(11-17)9-12-6-7-14(18(2)3)15(10-12)19(21)22/h6-7,9-10H,4-5,8H2,1-3H3/b13-9+