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

Systemtic Name: 2-methylpropyl 2-azanyl-1-(4-chloranyl-3-nitro-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H18ClN5O4 MolecularWeight: 439.85172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O4/c1-11(2)10-31-21(28)17-18-20(25-15-6-4-3-5-14(15)24-18)26(19(17)23)12-7-8-13(22)16(9-12)27(29)30/h3-9,11H,10,23H2,1-2H3