4-[[5-nitro-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[5-nitro-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(5-nitro-2,3-dioxo-indolin-1-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(5-nitro-2,3-dioxo-1-indolyl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(5-nitro-2,3-dioxoindol-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(2,3-diketo-5-nitro-indolin-1-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C14H15N4O5+ MolecularWeight: 319.2927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)C=O

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)C=O

InChI

InChI=1S/C14H14N4O5/c19-9-16-5-3-15(4-6-16)8-17-12-2-1-10(18(22)23)7-11(12)13(20)14(17)21/h1-2,7,9H,3-6,8H2/p+1