[azanyl-[(2-methyl-3-nitro-phenyl)carbonylamino]methylidene]-(1,3-benzoxazol-2-yl)azanium

Systemtic Name: [azanyl-[(2-methyl-3-nitro-phenyl)carbonylamino]methylidene]-(1,3-benzoxazol-2-yl)azanium Openeye Name: [amino-[(2-methyl-3-nitro-benzoyl)amino]methylene]-(1,3-benzoxazol-2-yl)ammonium CAS Name: [amino-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]methylidene]-(1,3-benzoxazol-2-yl)ammonium IUPAC Name: [amino-[(2-methyl-3-nitrobenzoyl)amino]methylidene]-(1,3-benzoxazol-2-yl)azanium Traditional Name: [amino-[(2-methyl-3-nitro-benzoyl)amino]methylene]-(1,3-benzoxazol-2-yl)ammonium Formula: C16H14N5O4+ MolecularWeight: 340.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=[NH+]C2=NC3=CC=CC=C3O2)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=[NH+]C2=NC3=CC=CC=C3O2)N

InChI

InChI=1S/C16H13N5O4/c1-9-10(5-4-7-12(9)21(23)24)14(22)19-15(17)20-16-18-11-6-2-3-8-13(11)25-16/h2-8H,1H3,(H3,17,18,19,20,22)/p+1