N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-[2-(2-furfurylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)NCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)NCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c26-20(23-13-17-7-4-10-30-17)14-24-21(27)16-8-9-18(19(11-16)25(28)29)22-12-15-5-2-1-3-6-15/h1-11,22H,12-14H2,(H,23,26)(H,24,27)