7-azido-4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 7-azido-4-[(4-chloranyl-5-methoxy-2-methyl-phenyl)amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 7-azido-4-(4-chloro-5-methoxy-2-methyl-anilino)-6-nitro-quinoline-3-carbonitrile CAS Name: 7-azido-4-(4-chloro-5-methoxy-2-methylanilino)-6-nitro-3-quinolinecarbonitrile IUPAC Name: 7-azido-4-(4-chloro-5-methoxy-2-methylanilino)-6-nitroquinoline-3-carbonitrile Traditional Name: 7-azido-4-(4-chloro-5-methoxy-2-methyl-anilino)-6-nitro-quinoline-3-carbonitrile Formula: C18H12ClN7O3 MolecularWeight: 409.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C(C=NC3=CC(=C(C=C32)[N+](=O)[O-])N=[N+]=[N-])C#N)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C(C=NC3=CC(=C(C=C32)[N+](=O)[O-])N=[N+]=[N-])C#N)OC)Cl

InChI

InChI=1S/C18H12ClN7O3/c1-9-3-12(19)17(29-2)6-13(9)23-18-10(7-20)8-22-14-5-15(24-25-21)16(26(27)28)4-11(14)18/h3-6,8H,1-2H3,(H,22,23)