3-azanylpropyl nitrate; [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid

Systemtic Name: 3-azanylpropyl nitrate; [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid Openeye Name: 3-aminopropyl nitrate; [(2S)-2-(6-methoxy-2-naphthyl)propanoyl]oxymethylphosphonic acid CAS Name: [(2S)-2-(6-methoxy-2-naphthalenyl)-1-oxopropoxy]methylphosphonic acid; nitric acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl nitrate; [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid Traditional Name: [(2S)-2-(6-methoxy-2-naphthyl)propanoyl]oxymethylphosphonic acid; nitric acid 3-aminopropyl ester Formula: C18H25N2O9P MolecularWeight: 444.372861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCP(=O)(O)O.C(CN)CO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCP(=O)(O)O.C(CN)CO[N+](=O)[O-]

InChI

InChI=1S/C15H17O6P.C3H8N2O3/c1-10(15(16)21-9-22(17,18)19)11-3-4-13-8-14(20-2)6-5-12(13)7-11;4-2-1-3-8-5(6)7/h3-8,10H,9H2,1-2H3,(H2,17,18,19);1-4H2/t10-;/m0./s1