[1-(1,2-dihydrophenothiazin-10-yl)-1-oxidanylidene-butan-2-yl] 3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [1-(1,2-dihydrophenothiazin-10-yl)-1-oxidanylidene-butan-2-yl] 3-(4-nitrophenyl)prop-2-enoate Openeye Name: 1-(1,2-dihydrophenothiazine-10-carbonyl)propyl 3-(4-nitrophenyl)prop-2-enoate CAS Name: 3-(4-nitrophenyl)-2-propenoic acid [1-(1,2-dihydrophenothiazin-10-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,2-dihydrophenothiazin-10-yl)-1-oxobutan-2-yl] 3-(4-nitrophenyl)prop-2-enoate Traditional Name: 3-(4-nitrophenyl)acrylic acid 1-(1,2-dihydrophenothiazine-10-carbonyl)propyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=C(C=CCC2)SC3=CC=CC=C31)OC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)N1C2=C(C=CCC2)SC3=CC=CC=C31)OC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O5S/c1-2-21(32-24(28)16-13-17-11-14-18(15-12-17)27(30)31)25(29)26-19-7-3-5-9-22(19)33-23-10-6-4-8-20(23)26/h3,5-7,9-16,21H,2,4,8H2,1H3