(4-ethoxycarbonylphenyl)-[3-[(4-ethoxycarbonylphenyl)amino]-1,4-benzoxazin-2-ylidene]azanium

Systemtic Name: (4-ethoxycarbonylphenyl)-[3-[(4-ethoxycarbonylphenyl)amino]-1,4-benzoxazin-2-ylidene]azanium Openeye Name: [3-(4-ethoxycarbonylanilino)-1,4-benzoxazin-2-ylidene]-(4-ethoxycarbonylphenyl)ammonium CAS Name: [3-(4-ethoxycarbonylanilino)-1,4-benzoxazin-2-ylidene]-(4-ethoxycarbonylphenyl)ammonium IUPAC Name: [3-(4-ethoxycarbonylanilino)-1,4-benzoxazin-2-ylidene]-(4-ethoxycarbonylphenyl)azanium Traditional Name: [3-(4-carbethoxyanilino)-1,4-benzoxazin-2-ylidene]-(4-carbethoxyphenyl)ammonium Formula: C26H24N3O5+ MolecularWeight: 458.48586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2=[NH+]C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2=[NH+]C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C26H23N3O5/c1-3-32-25(30)17-9-13-19(14-10-17)27-23-24(34-22-8-6-5-7-21(22)29-23)28-20-15-11-18(12-16-20)26(31)33-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)/p+1