ethyl (Z)-2-cyano-3-[3-methoxy-4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[3-methoxy-4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]phenyl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-[2-keto-2-(2-methyl-5-nitro-anilino)ethoxy]-3-methoxy-phenyl]acrylic acid ethyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)OC)/C#N

InChI

InChI=1S/C22H21N3O7/c1-4-31-22(27)16(12-23)9-15-6-8-19(20(10-15)30-3)32-13-21(26)24-18-11-17(25(28)29)7-5-14(18)2/h5-11H,4,13H2,1-3H3,(H,24,26)/b16-9-