1-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione

Systemtic Name: 1-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Openeye Name: 1-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione CAS Name: 1-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione IUPAC Name: 1-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]anthracene-9,10-dione Traditional Name: 1-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]-9,10-anthraquinone Formula: C27H17N5O5 MolecularWeight: 491.45438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

InChI

InChI=1S/C27H17N5O5/c33-26-16-9-4-5-10-17(16)27(34)22-18(26)11-6-12-19(22)29-20-13-21(28-14-15-7-2-1-3-8-15)25(32(35)36)24-23(20)30-37-31-24/h1-13,28-29H,14H2