methyl 3-azanyl-2-[4-[[azanyl(nitramido)methylidene]amino]phenyl]propanoate

Systemtic Name: methyl 3-azanyl-2-[4-[[azanyl(nitramido)methylidene]amino]phenyl]propanoate Openeye Name: methyl 3-amino-2-[4-[[amino(nitramido)methylene]amino]phenyl]propanoate CAS Name: 3-amino-2-[4-[[amino(nitramido)methylidene]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-amino-2-[4-[[amino(nitramido)methylidene]amino]phenyl]propanoate Traditional Name: 3-amino-2-[4-[[amino(nitramido)methylene]amino]phenyl]propionic acid methyl ester Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN)C1=CC=C(C=C1)N=C(N)N[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CN)C1=CC=C(C=C1)N=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O4/c1-20-10(17)9(6-12)7-2-4-8(5-3-7)14-11(13)15-16(18)19/h2-5,9H,6,12H2,1H3,(H3,13,14,15)