3,6-dinitro-4-(4-phenylpiperazin-1-yl)chromen-2-one

Systemtic Name: 3,6-dinitro-4-(4-phenylpiperazin-1-yl)chromen-2-one Openeye Name: 3,6-dinitro-4-(4-phenylpiperazin-1-yl)chromen-2-one CAS Name: 3,6-dinitro-4-(4-phenyl-1-piperazinyl)-1-benzopyran-2-one IUPAC Name: 3,6-dinitro-4-(4-phenylpiperazin-1-yl)chromen-2-one Traditional Name: 3,6-dinitro-4-(4-phenylpiperazino)coumarin Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=C3C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)OC4=C3C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c24-19-18(23(27)28)17(15-12-14(22(25)26)6-7-16(15)29-19)21-10-8-20(9-11-21)13-4-2-1-3-5-13/h1-7,12H,8-11H2