ethyl (1E)-N-[3-cyano-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]methanimidate

Systemtic Name: ethyl (1E)-N-[3-cyano-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]methanimidate Openeye Name: ethyl (1E)-N-[3-cyano-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]methanimidate CAS Name: (1E)-N-[3-cyano-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-2-yl]methanimidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[3-cyano-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]methanimidate Traditional Name: (1E)-N-[3-cyano-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]formimidic acid ethyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=C(C(C2=C(O1)C3=CC=CC=C3CC2)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CCO/C=N/C1=C(C(C2=C(O1)C3=CC=CC=C3CC2)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H19N3O4/c1-2-29-14-25-23-20(13-24)21(16-7-5-8-17(12-16)26(27)28)19-11-10-15-6-3-4-9-18(15)22(19)30-23/h3-9,12,14,21H,2,10-11H2,1H3/b25-14+