6-nitro-3-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]-4H-quinoxaline-2-carbaldehyde

Systemtic Name: 6-nitro-3-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]-4H-quinoxaline-2-carbaldehyde Openeye Name: 7-(4-benzylpiperazin-1-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carbaldehyde CAS Name: 6-nitro-3-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-4H-quinoxaline-2-carboxaldehyde IUPAC Name: 7-(4-benzylpiperazin-1-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carbaldehyde Traditional Name: 7-(4-benzylpiperazino)-3-keto-6-nitro-4H-quinoxaline-2-carbaldehyde Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c26-13-17-20(27)22-16-11-19(25(28)29)18(10-15(16)21-17)24-8-6-23(7-9-24)12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H,22,27)