3,6-dinitro-4-oxidanylidene-chromen-2-olate; 1-phenylpiperazin-4-ium

Systemtic Name: 3,6-dinitro-4-oxidanylidene-chromen-2-olate; 1-phenylpiperazin-4-ium Openeye Name: 3,6-dinitro-4-oxo-chromen-2-olate; 1-phenylpiperazin-4-ium CAS Name: 3,6-dinitro-4-oxo-1-benzopyran-2-olate; 1-phenylpiperazin-4-ium IUPAC Name: 3,6-dinitro-4-oxochromen-2-olate; 1-phenylpiperazin-4-ium Traditional Name: 4-keto-3,6-dinitro-chromen-2-olate; 1-phenylpiperazin-4-ium Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H14N2.C9H4N2O7/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;12-8-5-3-4(10(14)15)1-2-6(5)18-9(13)7(8)11(16)17/h1-5,11H,6-9H2;1-3,13H