2-azanyl-4-(3-bromophenyl)-6-ethoxy-7-methyl-5-oxidanylidene-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-6-ethoxy-7-methyl-5-oxidanylidene-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepine-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-6-ethoxy-5-keto-7-methyl-4H-oxepin-3-carbonitrile Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=CC(=CC=C2)Br)C#N)N)C

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=CC(=CC=C2)Br)C#N)N)C

InChI

InChI=1S/C16H15BrN2O3/c1-3-21-15-9(2)22-16(19)12(8-18)13(14(15)20)10-5-4-6-11(17)7-10/h4-7,13H,3,19H2,1-2H3