4-bromanyl-2-ethyl-6-nitro-5-[(2-propoxynaphthalen-1-yl)methylamino]pyridazin-3-one

Systemtic Name: 4-bromanyl-2-ethyl-6-nitro-5-[(2-propoxynaphthalen-1-yl)methylamino]pyridazin-3-one Openeye Name: 4-bromo-2-ethyl-6-nitro-5-[(2-propoxy-1-naphthyl)methylamino]pyridazin-3-one CAS Name: 4-bromo-2-ethyl-6-nitro-5-[(2-propoxy-1-naphthalenyl)methylamino]-3-pyridazinone IUPAC Name: 4-bromo-2-ethyl-6-nitro-5-[(2-propoxynaphthalen-1-yl)methylamino]pyridazin-3-one Traditional Name: 4-bromo-2-ethyl-6-nitro-5-[(2-propoxy-1-naphthyl)methylamino]pyridazin-3-one Formula: C20H21BrN4O4 MolecularWeight: 461.30914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=CC=CC=C2C=C1)CNC3=C(C(=O)N(N=C3[N+](=O)[O-])CC)Br

Isomeric SMILES

CCCOC1=C(C2=CC=CC=C2C=C1)CNC3=C(C(=O)N(N=C3[N+](=O)[O-])CC)Br

InChI

InChI=1S/C20H21BrN4O4/c1-3-11-29-16-10-9-13-7-5-6-8-14(13)15(16)12-22-18-17(21)20(26)24(4-2)23-19(18)25(27)28/h5-10,22H,3-4,11-12H2,1-2H3