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

Systemtic Name: 4-chloranyl-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-2-prop-2-enyl-pyridazin-3-one Openeye Name: 2-allyl-4-chloro-5-[(4-methoxy-3-propoxy-phenyl)methylamino]-6-nitro-pyridazin-3-one CAS Name: 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-6-nitro-2-prop-2-enyl-3-pyridazinone IUPAC Name: 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-6-nitro-2-prop-2-enylpyridazin-3-one Traditional Name: 2-allyl-4-chloro-5-[(4-methoxy-3-propoxy-benzyl)amino]-6-nitro-pyridazin-3-one Formula: C18H21ClN4O5 MolecularWeight: 408.83614

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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=C)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O5/c1-4-8-22-18(24)15(19)16(17(21-22)23(25)26)20-11-12-6-7-13(27-3)14(10-12)28-9-5-2/h4,6-7,10,20H,1,5,8-9,11H2,2-3H3