(E)-3-(10-methyl-5-oxidanylidene-phenothiazin-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(10-methyl-5-oxidanylidene-phenothiazin-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(10-methyl-5-oxo-phenothiazin-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(10-methyl-5-oxo-3-phenothiazinyl)-1-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(10-methyl-5-oxophenothiazin-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-keto-10-methyl-phenothiazin-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)C4=CC=CC=C41

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)C4=CC=CC=C41

InChI

InChI=1S/C22H16N2O4S/c1-23-18-7-2-3-8-21(18)29(28)22-13-15(9-11-19(22)23)10-12-20(25)16-5-4-6-17(14-16)24(26)27/h2-14H,1H3/b12-10+