(6-carbamimidoylnaphthalen-2-yl) (E)-3-(4-nitrophenyl)prop-2-enoate; 4-methylbenzenesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) (E)-3-(4-nitrophenyl)prop-2-enoate; 4-methylbenzenesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) (E)-3-(4-nitrophenyl)prop-2-enoate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; (E)-3-(4-nitrophenyl)-2-propenoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) (E)-3-(4-nitrophenyl)prop-2-enoate; 4-methylbenzenesulfonic acid Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid (6-amidino-2-naphthyl) ester; tosylic acid Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C=CC(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1/C=C/C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4.C7H8O3S/c21-20(22)16-5-4-15-12-18(9-6-14(15)11-16)27-19(24)10-3-13-1-7-17(8-2-13)23(25)26;1-6-2-4-7(5-3-6)11(8,9)10/h1-12H,(H3,21,22);2-5H,1H3,(H,8,9,10)/b10-3+;