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

Systemtic Name: butyl (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]acrylic acid butyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c1-3-4-7-22-15(19)12(10-16)8-11-5-6-13(17-2)14(9-11)18(20)21/h5-6,8-9,17H,3-4,7H2,1-2H3/b12-8+