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

Systemtic Name: (4Z)-6-nitro-4-[[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-nitro-4-[[4-(1-piperidylmethyl)anilino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-nitro-4-[[4-(1-piperidinylmethyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-nitro-4-[[4-(piperidin-1-ylmethyl)anilino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-nitro-4-[[4-(piperidinomethyl)anilino]methylene]isoquinoline-1,3-quinone Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC=C3C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)NC3=O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)N/C=C\3/C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)NC3=O

InChI

InChI=1S/C22H22N4O4/c27-21-18-9-8-17(26(29)30)12-19(18)20(22(28)24-21)13-23-16-6-4-15(5-7-16)14-25-10-2-1-3-11-25/h4-9,12-13,23H,1-3,10-11,14H2,(H,24,27,28)/b20-13-