[4-(diethylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone

Systemtic Name: [4-(diethylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone Openeye Name: [4-(diethylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone CAS Name: [4-(diethylamino)-3,5-dinitrophenyl]-(10-phenothiazinyl)methanone IUPAC Name: [4-(diethylamino)-3,5-dinitrophenyl]-phenothiazin-10-ylmethanone Traditional Name: [4-(diethylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S/c1-3-24(4-2)22-18(26(29)30)13-15(14-19(22)27(31)32)23(28)25-16-9-5-7-11-20(16)33-21-12-8-6-10-17(21)25/h5-14H,3-4H2,1-2H3