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

Systemtic Name: methyl 6-(4-chloranylbutanoylamino)-7-nitro-phenazine-1-carboxylate Openeye Name: methyl 6-(4-chlorobutanoylamino)-7-nitro-phenazine-1-carboxylate CAS Name: 6-[(4-chloro-1-oxobutyl)amino]-7-nitro-1-phenazinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-chlorobutanoylamino)-7-nitrophenazine-1-carboxylate Traditional Name: 6-(4-chlorobutanoylamino)-7-nitro-phenazine-1-carboxylic acid methyl ester Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O5/c1-28-18(25)10-4-2-5-11-15(10)20-12-7-8-13(23(26)27)17(16(12)21-11)22-14(24)6-3-9-19/h2,4-5,7-8H,3,6,9H2,1H3,(H,22,24)