4-(butylamino)-3,6-dinitro-chromen-2-one

Systemtic Name: 4-(butylamino)-3,6-dinitro-chromen-2-one Openeye Name: 4-(butylamino)-3,6-dinitro-chromen-2-one CAS Name: 4-(butylamino)-3,6-dinitro-1-benzopyran-2-one IUPAC Name: 4-(butylamino)-3,6-dinitrochromen-2-one Traditional Name: 4-(butylamino)-3,6-dinitro-coumarin Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)OC2=C1C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=O)OC2=C1C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c1-2-3-6-14-11-9-7-8(15(18)19)4-5-10(9)22-13(17)12(11)16(20)21/h4-5,7,14H,2-3,6H2,1H3