(E)-3-(4-chloranyl-3-nitro-phenyl)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-(10H-phenothiazin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one Formula: C21H13ClN2O3S MolecularWeight: 408.85752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(=O)/C=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN2O3S/c22-15-8-5-13(11-18(15)24(26)27)6-9-19(25)14-7-10-21-17(12-14)23-16-3-1-2-4-20(16)28-21/h1-12,23H/b9-6+