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

Systemtic Name: [4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone Openeye Name: [4-(2,4-dimethylanilino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone CAS Name: [4-(2,4-dimethylanilino)-3,5-dinitrophenyl]-(10-phenothiazinyl)methanone IUPAC Name: [4-(2,4-dimethylanilino)-3,5-dinitrophenyl]-phenothiazin-10-ylmethanone Traditional Name: [4-(2,4-dimethylanilino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone Formula: C27H20N4O5S MolecularWeight: 512.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-])C

InChI

InChI=1S/C27H20N4O5S/c1-16-11-12-19(17(2)13-16)28-26-22(30(33)34)14-18(15-23(26)31(35)36)27(32)29-20-7-3-5-9-24(20)37-25-10-6-4-8-21(25)29/h3-15,28H,1-2H3