methyl 1-(3-azanylpropyl)-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indole-5-carboxylate

Systemtic Name: methyl 1-(3-azanylpropyl)-3-(6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl)indole-5-carboxylate Openeye Name: methyl 1-(3-aminopropyl)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate CAS Name: 1-(3-aminopropyl)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropyl)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)indole-5-carboxylate Traditional Name: 1-(3-aminopropyl)-3-(3-keto-6-nitro-4H-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C21H19N5O5 MolecularWeight: 421.40606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)CCCN

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)CCCN

InChI

InChI=1S/C21H19N5O5/c1-31-21(28)12-3-6-18-14(9-12)15(11-25(18)8-2-7-22)19-20(27)24-17-10-13(26(29)30)4-5-16(17)23-19/h3-6,9-11H,2,7-8,22H2,1H3,(H,24,27)