1-[[1-(6-nitro-3-oxidanylidene-quinoxalin-2-ylidene)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]thiourea

Systemtic Name: 1-[[1-(6-nitro-3-oxidanylidene-quinoxalin-2-ylidene)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]thiourea Openeye Name: [[2-hydroxy-1-(6-nitro-3-oxo-quinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]amino]thiourea CAS Name: [[2-hydroxy-1-(6-nitro-3-oxo-2-quinoxalinylidene)-2-(4-nitrophenyl)ethyl]amino]thiourea IUPAC Name: [[2-hydroxy-1-(6-nitro-3-oxoquinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]amino]thiourea Traditional Name: [[2-hydroxy-1-(3-keto-6-nitro-quinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]amino]thiourea Formula: C17H13N7O6S MolecularWeight: 443.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=C2C(=O)N=C3C=C(C=CC3=N2)[N+](=O)[O-])NNC(=S)N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(=C2C(=O)N=C3C=C(C=CC3=N2)[N+](=O)[O-])NNC(=S)N)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O6S/c18-17(31)22-21-13(15(25)8-1-3-9(4-2-8)23(27)28)14-16(26)20-12-7-10(24(29)30)5-6-11(12)19-14/h1-7,15,21,25H,(H3,18,22,31)