butyl 6-(4-chloranylbutanoylamino)-7-nitro-phenazine-1-carboxylate

Systemtic Name: butyl 6-(4-chloranylbutanoylamino)-7-nitro-phenazine-1-carboxylate Openeye Name: butyl 6-(4-chlorobutanoylamino)-7-nitro-phenazine-1-carboxylate CAS Name: 6-[(4-chloro-1-oxobutyl)amino]-7-nitro-1-phenazinecarboxylic acid butyl ester IUPAC Name: butyl 6-(4-chlorobutanoylamino)-7-nitrophenazine-1-carboxylate Traditional Name: 6-(4-chlorobutanoylamino)-7-nitro-phenazine-1-carboxylic acid butyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC(=C3NC(=O)CCCCl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC(=C3NC(=O)CCCCl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5/c1-2-3-12-31-21(28)13-6-4-7-14-18(13)23-15-9-10-16(26(29)30)20(19(15)24-14)25-17(27)8-5-11-22/h4,6-7,9-10H,2-3,5,8,11-12H2,1H3,(H,25,27)