(4Z)-6-bromanyl-4-[[[4-(cyclopropylmethoxy)-3-oxidanyl-phenyl]methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-bromanyl-4-[[[4-(cyclopropylmethoxy)-3-oxidanyl-phenyl]methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[[4-(cyclopropylmethoxy)-3-hydroxy-phenyl]methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[[4-(cyclopropylmethoxy)-3-hydroxyphenyl]methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[[4-(cyclopropylmethoxy)-3-hydroxyphenyl]methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[[4-(cyclopropylmethoxy)-3-hydroxy-benzyl]amino]methylene]isoquinoline-1,3-quinone Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=C(C=C2)CNC=C3C4=C(C=CC(=C4)Br)C(=O)NC3=O)O

Isomeric SMILES

C1CC1COC2=C(C=C(C=C2)CN/C=C\3/C4=C(C=CC(=C4)Br)C(=O)NC3=O)O

InChI

InChI=1S/C21H19BrN2O4/c22-14-4-5-15-16(8-14)17(21(27)24-20(15)26)10-23-9-13-3-6-19(18(25)7-13)28-11-12-1-2-12/h3-8,10,12,23,25H,1-2,9,11H2,(H,24,26,27)/b17-10-