8-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-5-nitro-quinoline

Systemtic Name: 8-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-5-nitro-quinoline Openeye Name: 8-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-5-nitro-quinoline CAS Name: 8-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]-5-nitroquinoline IUPAC Name: 8-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]-5-nitroquinoline Traditional Name: 8-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-5-nitro-quinoline Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7S/c26-24(27)17-8-10-20(21-16(17)6-5-11-22-21)32-19-9-7-15(14-18(19)25(28)29)33(30,31)23-12-3-1-2-4-13-23/h5-11,14H,1-4,12-13H2