2-azanyl-9-methoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

Systemtic Name: 2-azanyl-9-methoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Openeye Name: 2-amino-9-methoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile CAS Name: 2-amino-9-methoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 2-amino-9-methoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Traditional Name: 2-amino-9-methoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3=C2OC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C#N)N)C=C1

Isomeric SMILES

COC1=CC2=C(CCC3=C2OC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C#N)N)C=C1

InChI

InChI=1S/C21H17N3O4/c1-27-15-7-5-12-6-8-16-19(13-3-2-4-14(9-13)24(25)26)18(11-22)21(23)28-20(16)17(12)10-15/h2-5,7,9-10,19H,6,8,23H2,1H3