[3,5-dinitro-4-(propan-2-ylamino)phenyl]-phenothiazin-10-yl-methanone

Systemtic Name: [3,5-dinitro-4-(propan-2-ylamino)phenyl]-phenothiazin-10-yl-methanone Openeye Name: [4-(isopropylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone CAS Name: [3,5-dinitro-4-(propan-2-ylamino)phenyl]-(10-phenothiazinyl)methanone IUPAC Name: [3,5-dinitro-4-(propan-2-ylamino)phenyl]-phenothiazin-10-ylmethanone Traditional Name: [4-(isopropylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone Formula: C22H18N4O5S MolecularWeight: 450.46712

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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=C3SC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-13(2)23-21-17(25(28)29)11-14(12-18(21)26(30)31)22(27)24-15-7-3-5-9-19(15)32-20-10-6-4-8-16(20)24/h3-13,23H,1-2H3