4-[7-chloranyl-2-(methylamino)-4-oxidanyl-3H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[7-chloranyl-2-(methylamino)-4-oxidanyl-3H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[7-chloro-4-hydroxy-2-(methylamino)-3H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[7-chloro-4-hydroxy-2-(methylamino)-3H-1,4-benzodiazepin-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[7-chloro-4-hydroxy-2-(methylamino)-3H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[7-chloro-4-hydroxy-2-(methylamino)-3H-1,4-benzodiazepin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)N(C1)O

Isomeric SMILES

CNC1=NC2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)N(C1)O

InChI

InChI=1S/C16H14ClN3O2/c1-18-15-9-20(22)16(10-2-5-12(21)6-3-10)13-8-11(17)4-7-14(13)19-15/h2-8,22H,9H2,1H3,(H,18,19)