2-nitro-N-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide

Systemtic Name: 2-nitro-N-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Openeye Name: 2-nitro-N-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide CAS Name: 2-nitro-N-[[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]benzamide IUPAC Name: 2-nitro-N-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Traditional Name: N-[[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-nitro-benzamide Formula: C21H22N5O4+ MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CC=C4[N+](=O)[O-])C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CC=C4[N+](=O)[O-])C2=O

InChI

InChI=1S/C21H21N5O4/c27-20(16-9-3-5-11-18(16)26(29)30)23-22-19-15-8-2-4-10-17(15)25(21(19)28)14-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,23,27)/p+1