cyclohexyl 2-azanyl-1-(4-chloranyl-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: cyclohexyl 2-azanyl-1-(4-chloranyl-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: cyclohexyl 2-amino-1-(4-chloro-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-chloro-3-nitrophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-amino-1-(4-chloro-3-nitrophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-chloro-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid cyclohexyl ester Formula: C23H20ClN5O4 MolecularWeight: 465.889

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C23H20ClN5O4/c24-15-11-10-13(12-18(15)29(31)32)28-21(25)19(23(30)33-14-6-2-1-3-7-14)20-22(28)27-17-9-5-4-8-16(17)26-20/h4-5,8-12,14H,1-3,6-7,25H2