carbamimidoyl-cyano-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-phenyl-azanium

Systemtic Name: carbamimidoyl-cyano-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-phenyl-azanium Openeye Name: carbamimidoyl-cyano-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-phenyl-ammonium CAS Name: carbamimidoyl-cyano-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-phenylammonium IUPAC Name: carbamimidoyl-cyano-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-phenylazanium Traditional Name: amidino-cyano-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-phenyl-ammonium Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])[N+](C#N)(C3=CC=CC=C3)C(=N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])[N+](C#N)(C3=CC=CC=C3)C(=N)N)O)C

InChI

InChI=1S/C19H20N5O3/c1-19(2)15-9-8-12(23(26)27)10-14(15)16(17(19)25)24(11-20,18(21)22)13-6-4-3-5-7-13/h3-10,16-17,25H,1-2H3,(H3,21,22)/q+1