methyl-[(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]ammonium CAS Name: methyl-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(6-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]azanium Traditional Name: benzyl-[(2-keto-6-nitro-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium Formula: C16H16N3O4+ MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H15N3O4/c1-17(10-12-5-3-2-4-6-12)11-18-14-8-7-13(19(21)22)9-15(14)23-16(18)20/h2-9H,10-11H2,1H3/p+1