N,N-diethyl-2-(10-methyl-7-nitro-pyridazino[4,5-b][1,4]benzoxazin-1-yl)oxy-ethanamine hydrate

Systemtic Name: N,N-diethyl-2-(10-methyl-7-nitro-pyridazino[4,5-b][1,4]benzoxazin-1-yl)oxy-ethanamine hydrate Openeye Name: N,N-diethyl-2-(10-methyl-7-nitro-pyridazino[4,5-b][1,4]benzoxazin-1-yl)oxy-ethanamine hydrate CAS Name: N,N-diethyl-2-[(10-methyl-7-nitro-1-pyridazino[4,5-b][1,4]benzoxazinyl)oxy]ethanamine hydrate IUPAC Name: N,N-diethyl-2-(10-methyl-7-nitropyridazino[4,5-b][1,4]benzoxazin-1-yl)oxyethanamine hydrate Traditional Name: diethyl-[2-(10-methyl-7-nitro-pyridazino[4,5-b][1,4]benzoxazin-1-yl)oxyethyl]amine hydrate Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C2C(=CN=N1)OC3=C(N2C)C=CC(=C3)[N+](=O)[O-].O

Isomeric SMILES

CCN(CC)CCOC1=C2C(=CN=N1)OC3=C(N2C)C=CC(=C3)[N+](=O)[O-].O

InChI

InChI=1S/C17H21N5O4.H2O/c1-4-21(5-2)8-9-25-17-16-15(11-18-19-17)26-14-10-12(22(23)24)6-7-13(14)20(16)3;/h6-7,10-11H,4-5,8-9H2,1-3H3;1H2