(4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-nitro-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[[[4-(4-methylpiperazin-1-yl)phenyl]amino]methylidene]-6-nitro-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylene]-6-nitro-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[4-(4-methyl-1-piperazinyl)anilino]methylidene]-6-nitroisoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[4-(4-methylpiperazin-1-yl)anilino]methylidene]-6-nitroisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[4-(4-methylpiperazino)anilino]methylene]-6-nitro-isoquinoline-1,3-quinone Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)NC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)NC3=O

InChI

InChI=1S/C21H21N5O4/c1-24-8-10-25(11-9-24)15-4-2-14(3-5-15)22-13-19-18-12-16(26(29)30)6-7-17(18)20(27)23-21(19)28/h2-7,12-13,22H,8-11H2,1H3,(H,23,27,28)/b19-13-