ethyl 3-azanyl-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate Openeye Name: ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate CAS Name: 3-amino-1-(4-bromophenyl)-1H-benzo[f][1]benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylate Traditional Name: 3-amino-1-(4-bromophenyl)-1H-benzo[f]chromene-2-carboxylic acid ethyl ester Formula: C22H18BrNO3 MolecularWeight: 424.28722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Br)C4=CC=CC=C4C=C2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Br)C4=CC=CC=C4C=C2)N

InChI

InChI=1S/C22H18BrNO3/c1-2-26-22(25)20-18(14-7-10-15(23)11-8-14)19-16-6-4-3-5-13(16)9-12-17(19)27-21(20)24/h3-12,18H,2,24H2,1H3