N-(furan-2-ylmethyl)-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline Openeye Name: N-(2-furylmethyl)-2-nitro-4-(3-nitrophenyl)sulfonyl-aniline CAS Name: N-(2-furanylmethyl)-2-nitro-4-(3-nitrophenyl)sulfonylaniline IUPAC Name: N-(furan-2-ylmethyl)-2-nitro-4-(3-nitrophenyl)sulfonylaniline Traditional Name: 2-furfuryl-[2-nitro-4-(3-nitrophenyl)sulfonyl-phenyl]amine Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S/c21-19(22)12-3-1-5-14(9-12)28(25,26)15-6-7-16(17(10-15)20(23)24)18-11-13-4-2-8-27-13/h1-10,18H,11H2