ethyl (E)-2-cyano-3-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-[(2-nitrophenyl)methyl]-2-pyrrolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-nitrobenzyl)pyrrol-2-yl]acrylic acid ethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CN1CC2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CN1CC2=CC=CC=C2[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H15N3O4/c1-2-24-17(21)14(11-18)10-15-7-5-9-19(15)12-13-6-3-4-8-16(13)20(22)23/h3-10H,2,12H2,1H3/b14-10+