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benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone

benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone

Systemtic Name:benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
Openeye Name:benzotriazol-1-yl-[4-(isopropylamino)-3,5-dinitro-phenyl]methanone
CAS Name:1-benzotriazolyl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
IUPAC Name:benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
Traditional Name:benzotriazol-1-yl-[4-(isopropylamino)-3,5-dinitro-phenyl]methanone
Formula: C16H14N6O5
MolecularWeight: 370.31956
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]


Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]


InChI

InChI=1S/C16H14N6O5/c1-9(2)17-15-13(21(24)25)7-10(8-14(15)22(26)27)16(23)20-12-6-4-3-5-11(12)18-19-20/h3-9,17H,1-2H3


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