ethyl (Z)-2-[2-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]carbonyl-3-(cyclopropylamino)prop-2-enoate

Systemtic Name: ethyl (Z)-2-[2-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]carbonyl-3-(cyclopropylamino)prop-2-enoate Openeye Name: ethyl (Z)-2-[2-chloro-4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzoyl]-3-(cyclopropylamino)prop-2-enoate CAS Name: (Z)-2-[[2-chloro-4-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]-oxomethyl]-3-(cyclopropylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-[2-chloro-4-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzoyl]-3-(cyclopropylamino)prop-2-enoate Traditional Name: (Z)-2-[2-chloro-4-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzoyl]-3-(cyclopropylamino)acrylic acid ethyl ester Formula: C20H26ClN4O5+ MolecularWeight: 437.89724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CC1)C(=O)C2=CC(=C(C=C2Cl)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C\NC1CC1)/C(=O)C2=CC(=C(C=C2Cl)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN4O5/c1-3-30-20(27)15(12-22-13-4-5-13)19(26)14-10-18(25(28)29)17(11-16(14)21)24-8-6-23(2)7-9-24/h10-13,22H,3-9H2,1-2H3/p+1/b15-12-