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

Systemtic Name: 3-methylbutyl 2-azanyl-1-(4-chloranyl-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C22H20ClN5O4/c1-12(2)9-10-32-22(29)18-19-21(26-16-6-4-3-5-15(16)25-19)27(20(18)24)13-7-8-14(23)17(11-13)28(30)31/h3-8,11-12H,9-10,24H2,1-2H3