[4-[(3-methoxy-4-methoxycarbonyl-phenyl)methylamino]-3-nitro-phenoxy]sulfanylboron

Systemtic Name: [4-[(3-methoxy-4-methoxycarbonyl-phenyl)methylamino]-3-nitro-phenoxy]sulfanylboron Openeye Name: [4-[(3-methoxy-4-methoxycarbonyl-phenyl)methylamino]-3-nitro-phenoxy]sulfanylboron CAS Name: [[4-[(3-methoxy-4-methoxycarbonylphenyl)methylamino]-3-nitrophenoxy]thio]boron IUPAC Name: [4-[(3-methoxy-4-methoxycarbonylphenyl)methylamino]-3-nitrophenoxy]sulfanylboron Traditional Name: [[4-[(4-carbomethoxy-3-methoxy-benzyl)amino]-3-nitro-phenoxy]thio]boron Formula: C16H15BN2O6S MolecularWeight: 374.1761

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Descriptors Computed from Structure

Canonical SMILES:

[B]SOC1=CC(=C(C=C1)NCC2=CC(=C(C=C2)C(=O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

[B]SOC1=CC(=C(C=C1)NCC2=CC(=C(C=C2)C(=O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15BN2O6S/c1-23-15-7-10(3-5-12(15)16(20)24-2)9-18-13-6-4-11(25-26-17)8-14(13)19(21)22/h3-8,18H,9H2,1-2H3