N,N-diethyl-2-[(7-nitro-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethanamine

Systemtic Name: N,N-diethyl-2-[(7-nitro-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethanamine Openeye Name: N,N-diethyl-2-[(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethanamine CAS Name: N,N-diethyl-2-[(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethanamine IUPAC Name: N,N-diethyl-2-[(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethanamine Traditional Name: diethyl-[2-[(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]ethyl]amine Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN=C1N=[N+](C2=C(N1O)C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCN(CC)CCN=C1N=[N+](C2=C(N1O)C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H18N6O4/c1-3-16(4-2)8-7-14-13-15-18(21)12-9-10(19(22)23)5-6-11(12)17(13)20/h5-6,9,20H,3-4,7-8H2,1-2H3