6-nitro-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[(2-pyridin-1-iumylamino)methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazol-2-one Traditional Name: 6-nitro-3-[(pyridin-1-ium-2-ylamino)methyl]-1,3-benzoxazol-2-one Formula: C13H11N4O4+ MolecularWeight: 287.25084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C13H10N4O4/c18-13-16(8-15-12-3-1-2-6-14-12)10-5-4-9(17(19)20)7-11(10)21-13/h1-7H,8H2,(H,14,15)/p+1