2-(3-azanylpropylamino)-5-methyl-3,6-dinitro-8-propan-2-yl-chromen-4-one

Systemtic Name: 2-(3-azanylpropylamino)-5-methyl-3,6-dinitro-8-propan-2-yl-chromen-4-one Openeye Name: 2-(3-aminopropylamino)-8-isopropyl-5-methyl-3,6-dinitro-chromen-4-one CAS Name: 2-(3-aminopropylamino)-5-methyl-3,6-dinitro-8-propan-2-yl-1-benzopyran-4-one IUPAC Name: 2-(3-aminopropylamino)-5-methyl-3,6-dinitro-8-propan-2-ylchromen-4-one Traditional Name: 2-(3-aminopropylamino)-8-isopropyl-5-methyl-3,6-dinitro-chromone Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=O)C(=C(O2)NCCCN)[N+](=O)[O-])C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C2=C1C(=O)C(=C(O2)NCCCN)[N+](=O)[O-])C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-8(2)10-7-11(19(22)23)9(3)12-14(21)13(20(24)25)16(26-15(10)12)18-6-4-5-17/h7-8,18H,4-6,17H2,1-3H3