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

Systemtic Name: [3,5-dinitro-4-[(phenylmethyl)amino]phenyl]-phenothiazin-10-yl-methanone Openeye Name: [4-(benzylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone CAS Name: [3,5-dinitro-4-[(phenylmethyl)amino]phenyl]-(10-phenothiazinyl)methanone IUPAC Name: [4-(benzylamino)-3,5-dinitrophenyl]-phenothiazin-10-ylmethanone Traditional Name: [4-(benzylamino)-3,5-dinitro-phenyl]-phenothiazin-10-yl-methanone Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C26H18N4O5S/c31-26(28-19-10-4-6-12-23(19)36-24-13-7-5-11-20(24)28)18-14-21(29(32)33)25(22(15-18)30(34)35)27-16-17-8-2-1-3-9-17/h1-15,27H,16H2