3-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl 3-nitrobenzoate

Systemtic Name: 3-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl 3-nitrobenzoate Openeye Name: 3-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)propyl ester IUPAC Name: 3-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)propyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCCOC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCCOC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C21H16N6O4/c22-12-15-18-20(25-17-8-2-1-7-16(17)24-18)26(19(15)23)9-4-10-31-21(28)13-5-3-6-14(11-13)27(29)30/h1-3,5-8,11H,4,9-10,23H2