dimethyl-[2-[(3-nitro-2-oxidanylidene-chromen-4-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(3-nitro-2-oxidanylidene-chromen-4-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-nitro-2-oxo-chromen-4-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(3-nitro-2-oxo-1-benzopyran-4-yl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-nitro-2-oxochromen-4-yl)amino]ethyl]azanium Traditional Name: 2-[(2-keto-3-nitro-chromen-4-yl)amino]ethyl-dimethyl-ammonium Formula: C13H16N3O4+ MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-15(2)8-7-14-11-9-5-3-4-6-10(9)20-13(17)12(11)16(18)19/h3-6,14H,7-8H2,1-2H3/p+1