4-chloranyl-2-ethyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-pyridazin-3-one

Systemtic Name: 4-chloranyl-2-ethyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-pyridazin-3-one Openeye Name: 4-chloro-2-ethyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-pyridazin-3-one CAS Name: 4-chloro-2-ethyl-5-[(4-methoxy-3-propoxyphenyl)methylamino]-6-nitro-3-pyridazinone IUPAC Name: 4-chloro-2-ethyl-5-[(4-methoxy-3-propoxyphenyl)methylamino]-6-nitropyridazin-3-one Traditional Name: 4-chloro-2-ethyl-5-[(4-methoxy-3-propoxy-benzyl)amino]-6-nitro-pyridazin-3-one Formula: C17H21ClN4O5 MolecularWeight: 396.82544

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2[N+](=O)[O-])CC)Cl)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2[N+](=O)[O-])CC)Cl)OC

InChI

InChI=1S/C17H21ClN4O5/c1-4-8-27-13-9-11(6-7-12(13)26-3)10-19-15-14(18)17(23)21(5-2)20-16(15)22(24)25/h6-7,9,19H,4-5,8,10H2,1-3H3