sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline

Systemtic Name: sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline Openeye Name: sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline CAS Name: sodium; 3-(1-aziridinyl)propanoic acid methyl ester; methanolate; 3-nitroaniline IUPAC Name: sodium; methanolate; methyl 3-(aziridin-1-yl)propanoate; 3-nitroaniline Traditional Name: sodium; 3-ethyleniminopropionic acid methyl ester; methanolate; (3-nitrophenyl)amine Formula: C13H20N3NaO5 MolecularWeight: 321.30477

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].COC(=O)CCN1CC1.C1=CC(=CC(=C1)[N+](=O)[O-])N.[Na+]

Isomeric SMILES

C[O-].COC(=O)CCN1CC1.C1=CC(=CC(=C1)[N+](=O)[O-])N.[Na+]

InChI

InChI=1S/C6H6N2O2.C6H11NO2.CH3O.Na/c7-5-2-1-3-6(4-5)8(9)10;1-9-6(8)2-3-7-4-5-7;1-2;/h1-4H,7H2;2-5H2,1H3;1H3;/q;;-1;+1