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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]acrylic acid isopropyl ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-9(2)21-14(18)11(8-15)6-10-4-5-12(16-3)13(7-10)17(19)20/h4-7,9,16H,1-3H3/b11-6+