N-[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide

Systemtic Name: N-[4-[(E)-N-[bis(azanyl)methylideneamino]-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide Openeye Name: N-[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide CAS Name: N-[4-[(1E)-1-(diaminomethylidenehydrazinylidene)ethyl]phenyl]-7-nitro-1H-indole-2-carboxamide IUPAC Name: N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide Traditional Name: N-[4-[(E)-N-guanidino-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)14-9-12-3-2-4-15(25(27)28)16(12)22-14/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+