ethyl (E)-2-cyano-3-[(2-methyl-5-nitro-phenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(2-methyl-5-nitro-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(2-methyl-5-nitro-anilino)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-methyl-5-nitroanilino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-methyl-5-nitroanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-methyl-5-nitro-anilino)acrylic acid ethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=CC(=C1)[N+](=O)[O-])C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=CC(=C1)[N+](=O)[O-])C)/C#N

InChI

InChI=1S/C13H13N3O4/c1-3-20-13(17)10(7-14)8-15-12-6-11(16(18)19)5-4-9(12)2/h4-6,8,15H,3H2,1-2H3/b10-8+