methyl N-[(E)-(7-azanylidene-8-cyano-10-oxidanidyl-5-oxidanyl-phenazin-10-ium-2-yl)methylideneamino]carbamate

Systemtic Name: methyl N-[(E)-(7-azanylidene-8-cyano-10-oxidanidyl-5-oxidanyl-phenazin-10-ium-2-yl)methylideneamino]carbamate Openeye Name: methyl N-[(E)-(8-cyano-5-hydroxy-7-imino-10-oxido-phenazin-10-ium-2-yl)methyleneamino]carbamate CAS Name: N-[(E)-(8-cyano-5-hydroxy-7-imino-10-oxido-2-phenazin-10-iumyl)methylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-(8-cyano-5-hydroxy-7-imino-10-oxidophenazin-10-ium-2-yl)methylideneamino]carbamate Traditional Name: N-[(E)-(8-cyano-5-hydroxy-7-imino-10-oxido-phenazin-10-ium-2-yl)methyleneamino]carbamic acid methyl ester Formula: C16H12N6O4 MolecularWeight: 352.30428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NN=CC1=CC2=C(C=C1)N(C3=CC(=N)C(=CC3=[N+]2[O-])C#N)O

Isomeric SMILES

COC(=O)N/N=C/C1=CC2=C(C=C1)N(C3=CC(=N)C(=CC3=[N+]2[O-])C#N)O

InChI

InChI=1S/C16H12N6O4/c1-26-16(23)20-19-8-9-2-3-12-13(4-9)22(25)14-5-10(7-17)11(18)6-15(14)21(12)24/h2-6,8,18,24H,1H3,(H,20,23)/b18-11?,19-8+