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6-nitro-4-oxidanylidene-1-propan-2-yl-7-(propan-2-ylamino)quinoline-3-carboxylic acid

6-nitro-4-oxidanylidene-1-propan-2-yl-7-(propan-2-ylamino)quinoline-3-carboxylic acid

Systemtic Name:6-nitro-4-oxidanylidene-1-propan-2-yl-7-(propan-2-ylamino)quinoline-3-carboxylic acid
Openeye Name:1-isopropyl-7-(isopropylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid
CAS Name:6-nitro-4-oxo-1-propan-2-yl-7-(propan-2-ylamino)-3-quinolinecarboxylic acid
IUPAC Name:6-nitro-4-oxo-1-propan-2-yl-7-(propan-2-ylamino)quinoline-3-carboxylic acid
Traditional Name:1-isopropyl-7-(isopropylamino)-4-keto-6-nitro-quinoline-3-carboxylic acid
Formula: C16H19N3O5
MolecularWeight: 333.33916
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)C)[N+](=O)[O-]


Isomeric SMILES

CC(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)C)[N+](=O)[O-]


InChI

InChI=1S/C16H19N3O5/c1-8(2)17-12-6-13-10(5-14(12)19(23)24)15(20)11(16(21)22)7-18(13)9(3)4/h5-9,17H,1-4H3,(H,21,22)


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